| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 29 | Yes |
Popular Name: [4-[3-(aminomethyl)phenyl]-1-piperidyl]-(1-butylindol-3-yl)methanone [4-[3-(aminomethyl)phenyl]-1-pip…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.19 | 12.09 | -61.1 | 3 | 4 | 1 | 53 | 390.551 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRYB1-1-E | Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 49 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRYB1_HUMAN | Q15661 | Tryptase Beta-1, Human | 49 | 0.35 | Binding ≤ 1μM |
| TRYB1_HUMAN | Q15661 | Tryptase Beta-1, Human | 49 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases |
